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J&K Chemical Ltd.

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Profile: JK Chemicals is a manufacturer of chemical compounds. We provide professional synthesis service for research chemicals, building blocks, reactive intermediates and specialty chemicals. Our products include heterocyclic, chiral, organometallic & organophosphorous compound, and fluorochemicals, organosilanes & silicones, amino acid & derivatives, natural product extracts & rare earth elements. We specialize in discovering new compounds & develop production scheme for specialty chemicals, unique chemicals, and pharmaceutical intermediates.

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• 2-Perfluorooctylethyl bromide
IUPAC Name: 10-bromo-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane | CAS Registry Number: 21652-57-3
Synonyms: 10-bromo-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane, AC1MD1VQ, 2-Perfluorooctyl ethyl bromide, CTK8E6751, MolPort-001-776-244, 2-(Perfluorooct-1-yl)ethyl bromide, PC5836, 1H,1H,2H,2H-Perfluorodecyl bromide, 1-bromo-1h,1h,2h,2h-perfluorodecane, 1-Bromo-2-(perfluorooct-1-yl)ethane, AKOS016015379, AG-E-58639, FT-0677366, A815580, 10-bromanyl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecakis(fluoranyl)decane, 1-Bromo-1H,1H,2H,2H-perfluorodecane;1H,1H,2H,2H-Perfluorodecyl bromide;2-(n-Perfluorooctyl)ethyl bromide;

Molecular Formula: C10H4BrF17Molecular Weight: 527.015614 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 17

InChIKey: TWWJQNJBBMHHAO-UHFFFAOYSA-N

• 1,2-Diphenylethylamine
IUPAC Name: 1,2-di(phenyl)ethanamine | CAS Registry Number: 25611-78-3
Synonyms: alpha-Benzylbenzylamine, alpha-Phenylphenethylamine, alpha-Phenylbenzeneethanamine, alpha,beta-Diphenylethylamine, 1-Amino-1,2-diphenylethane, Phenethylamine, alpha-phenyl-, Oprea1_325648, 137022_ALDRICH, Benzeneethanamine, alpha-phenyl-, EINECS 247-126-4, SBB000367, Benzeneethanamine, alpha-phenyl- (9CI), LS-103705

Molecular Formula: C14H15NMolecular Weight: 197.275600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: DTGGNTMERRTPLR-UHFFFAOYSA-N

• 2-Amino-5-cyclopropyl-1,3,4-thiadiazole
IUPAC Name: 5-cyclopropyl-1,3,4-thiadiazol-2-amine | CAS Registry Number: 57235-50-4
Synonyms: 5-cyclopropyl-1,3,4-thiadiazol-2-amine, 5-cyclopropyl-1,3,4-thiadiazole-2-ylamine, ZINC00115392, AC1LERUE, ACMC-20ao4n, Enamine_005503, SureCN295263, CTK5A6501, MolPort-000-147-519, BB_SC-7618, HMS1409K03, AC1Q5369, ALBB-001536, BBL013626, SBB020138, STK346809, AKOS000269268, AG-G-01748, MCULE-6840732084, RP01291

Molecular Formula: C5H7N3SMolecular Weight: 141.194180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: AVLUMBXGKFNNAS-UHFFFAOYSA-N

• 2-Amino-1,4-benzenedicarboxylic acid
IUPAC Name: 2-aminoterephthalate | CAS Registry Number: 10312-55-7
Synonyms: ZINC00389863, CID4745099

Molecular Formula: C8H5NO4-2Molecular Weight: 179.129600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: GPNNOCMCNFXRAO-UHFFFAOYSA-L

• (R)-3-Hydroxymyristic acid
IUPAC Name: 3-hydroxytetradecanoic acid | CAS Registry Number: 28715-21-1
Synonyms: 3-Hydroxymyristic acid, 3-HYDROXYTETRADECANOIC ACID, 1961-72-4, Tetradecanoic acid, 3-hydroxy-, beta-Hydroxymyristic acid, beta-Hydroxytetradecanoic acid, DL-beta-Hydroxymyristic acid, R-(3)-HYDROXYMYRISTIC ACID, 3-HYDROXY-TETRADECANOIC ACID, BRN 1725372, ATRNZOYKSNPPBF-UHFFFAOYSA-N, MFCD00059633, 3422-31-9, beta-hydroxymyristicacid, ACMC-1CSHD, 3-hydroxy-tetradecanoicaci, .beta.-Hydroxymyristic acid, 3-03-00-00660 (Beilstein Handbook Reference), SCHEMBL142895, hydroxymyristic acid, 3-(sg)

Molecular Formula: C14H28O3Molecular Weight: 244.375 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: ATRNZOYKSNPPBF-UHFFFAOYSA-N

• 6-Methoxy-2-naphthol
IUPAC Name: 4-amino-3,5-dihydroxybenzoic acid | CAS Registry Number: 511-66-0
Synonyms: 4-Amino-3,5-dihydroxybenzoic acid, Ambap511-66-0, SCHEMBL3174622, ACM511660, FCH852911, ZINC91365980, AKOS006294592, AK317557, KB-36321, OR033323, FT-0696922, 958232-24-1

Molecular Formula: C7H7NO4Molecular Weight: 169.136 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: OZXVKLZAIACTOQ-UHFFFAOYSA-N

• 1,1,7,7-Tetramethyl-2,3,6,7-Tetrahydro-1h,5h-Pyrido[3,2,1-Ij]quinoline-9-Carbaldehyde
Synonyms: 1,1,7,7-tetramethyl-9-formyljulolidine, 1,1,7,7-tetramethyl-2,3,6,7-tetrahydro-1h,5h-pyrido[3,2,1-ij]quinoline-9-carbaldehyde, 1,1,7,7-Tetramethyljulolidine-9-carboxaldehyde, AG-E-58925, 1,1,7,7-tetramethyljulolidine-9-carbaldehyde, PubChem15087, Jsp004411, CTK4E7512, MolPort-002-499-965, ACT04871, ANW-47912, RW2227, ZINC12647627, AKOS015842167, RP29183, AK-44906, BR-44906, KB-09806, FT-0630167, W4500

Molecular Formula: C17H23NOMolecular Weight: 257.370620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: FDVCQFAKOKLXGE-UHFFFAOYSA-N

• (2S,3S)-3-Methylpyrrolidine-2-carboxylic acid
IUPAC Name: (2S,3S)-3-methylpyrrolidin-1-ium-2-carboxylate | CAS Registry Number: 10512-89-7
Synonyms: ZINC04262199, CID11886827

Molecular Formula: C6H11NO2Molecular Weight: 129.157040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CNPSFBUUYIVHAP-WHFBIAKZSA-N

• 1-Ethyl-2-methylquinolinium iodide
IUPAC Name: 1-ethyl-2-methylquinolin-1-ium iodide | CAS Registry Number: 606-55-3
Synonyms: Quinaldine ethiodide, 1-Ethylquinaldinium iodide, N-Ethylquinaldinium iodide, 2-Methylquinoline ethiodide, Quinaldinium, 1-ethyl-, iodide, 2-Methyl-1-ethylquinolinium iodide, NSC 476, NSC476, EINECS 210-120-7, MolPort-002-904-682, Quinolinium, 1-ethyl-2-methyl-, iodide, CID69076, LS-139901, E0172, Quinolinium, 1-ethyl-2-methyl-, iodide (1:1), T0400-2705, 65882-05-5

Molecular Formula: C12H14INMolecular Weight: 299.150730 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: OEVSHJVOKFWBJY-UHFFFAOYSA-M

• 1,2,3-Thiadiazole-4-carboxaldehyde
IUPAC Name: thiadiazole-4-carbaldehyde | CAS Registry Number: 27643-15-8
Synonyms: 1,2,3-thiadiazole-4-carbaldehyde, SBB052333, ZINC02577969, AC1Q6PYW, thiadiazole-4-carbaldehyde, 4-thiadiazolecarboxaldehyde, ACMC-1CB1X, AC1MC71G, 4-Formyl-1,2,3-thiadiazole;, CTK1A1601, MolPort-000-146-528, ANW-57750, AKOS009157769, AG-B-76623, MCULE-1939480478, AK-48091, KB-147894, FT-0606219, EN300-36627, A819143

Molecular Formula: C3H2N2OSMolecular Weight: 114.125780 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: JNEBZFFTOLBIKJ-UHFFFAOYSA-N

• 4-phenyl-3-butyn-2-one
IUPAC Name: 4-phenylbut-3-yn-2-one | CAS Registry Number: 1817-57-8
Synonyms: 4-Phenyl-3-butyn-2-one, 1-Phenyl-1-butyn-3-one, 4-Phenylbut-3-yn-2-one, 3-Butyn-2-one, 4-phenyl-, CBiol_000156, 161268_ALDRICH, CHEBI:51731, EINECS 217-327-1, BRN 0878583, ICCB2_000156, SBB015101, LS-47520, 4-07-00-01175 (Beilstein Handbook Reference), InChI=1/C10H8O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,1H

Molecular Formula: C10H8OMolecular Weight: 144.169920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: UPEUQDJSUFHFQP-UHFFFAOYSA-N

• 1,2,3,4-Tetrahydrocarbazole
IUPAC Name: 2,3,4,9-tetrahydro-1H-carbazole | CAS Registry Number: 942-01-8
Synonyms: 2,3-Tetramethyleneindole, 5,6,7,8-Tetrahydrocarbazole, 2,3-Tetramethylene-1H-indole, 2,3,4,9-Tetrahydro-1H-carbazole, Carbazole, 1,2,3,4-tetrahydro-, 1H-Carbazole, 2,3,4,9-tetrahydro-, T12408_ALDRICH, EINECS 213-385-7, 1H-Indole, 2,3-(1,4-butanediyl)-, NSC 17329, WLN: T B656 HM&&TJ, CARBAZOLE, 5,6,7,8-TETRAHYDRO-, NSC17329, 5,6,7,8-Tetrahydro-9H-carbazole, BRN 0133771, ZINC00967256, CARBAZOLE,1,2,3,4-TETRAHYDRO, LS-51830, Carbazole, 1,2,3,4-tetrahydro- (8CI), TL8005952

Molecular Formula: C12H13NMolecular Weight: 171.238320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: XKLNOVWDVMWTOB-UHFFFAOYSA-N

• 4-Chloro-1,2-xylene
IUPAC Name: 4-chloro-1,2-dimethylbenzene | CAS Registry Number: 615-60-1
Synonyms: 4-Chloro-o-xylene, o-Xylene, 4-chloro-, 3,4-Dimethylchlorobenzene, 1-Chloro-3,4-dimethylbenzene, 4-Chloro-1,2-dimethylbenzene, 137758_ALDRICH, Benzene, 4-chloro-1,2-dimethyl-, 09363_FLUKA, EINECS 210-438-6

Molecular Formula: C8H9ClMolecular Weight: 140.610060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: HNQLMBJUMVLFCF-UHFFFAOYSA-N

• 2-Aminocaprylic acid
IUPAC Name: 2-aminooctanoic acid | CAS Registry Number: 644-90-6
Synonyms: 2-Aminooctanoic acid, dl-2-Aminocaprylic acid, 2-aminooctanoicacid, Octanoic acid, 2-amino-, 2-Amino-DL-caprylic acid, alpha-Aminocaprylic acid, dl-2-Aminooctanoic acid, DL-alpha-Aminocaprylic acid, Caprylic acid, alpha-amino-, (+-)-2-Aminooctanoic acid, dl-.alpha.-Amino-n-caprylic acid, DL-.alpha.-Aminocaprylic acid, 217700_ALDRICH, 09050_FLUKA, Octanoic acid, 2-amino-, DL-, AIDS018636, AIDS-018636, NSC20147, EINECS 211-424-2, EINECS 218-579-5

Molecular Formula: C8H17NO2Molecular Weight: 159.226080 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: AKVBCGQVQXPRLD-UHFFFAOYSA-N

• 2,3-Difluoromandelic Acid
IUPAC Name: 2-(2,3-difluorophenyl)-2-hydroxyacetic acid | CAS Registry Number: 207974-19-4
Synonyms: 2,3-Difluoromandelic acid, CID588650, (2,3-Difluorophenyl)(hydroxy)acetic acid, D1061, LT00454450

Molecular Formula: C8H6F2O3Molecular Weight: 188.128246 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: LBJOAPZLJUKPRG-UHFFFAOYSA-N

• (R)-5-(3-Hydroxyphenyl)-3-methyl-2-oxazolidinone
IUPAC Name: (5R)-5-(3-hydroxyphenyl)-3-methyl-1,3-oxazolidin-2-one | CAS Registry Number: 110193-49-2
Synonyms: (R)-5-(3-HYDROXYPHENYL)-3-METHYL-2-OXAZOLIDINONE, 2-Oxazolidinone,5-(3-hydroxyphenyl)-3-methyl-, (R)- (9CI), CTK4A6811, ZINC22061074, AG-D-27466, FT-0669995, (R)-3-[5-(N-Methyl-2-oxozolidonyl)]phenol

Molecular Formula: C10H11NO3Molecular Weight: 193.199240 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: JMKOBHGSFGXCHJ-VIFPVBQESA-N

• (S)-2-Ethoxy-3-(4-hydroxyphenyl)propionic acid ethyl ester
IUPAC Name: ethyl (2S)-2-ethoxy-3-(4-hydroxyphenyl)propanoate | CAS Registry Number: 222555-06-8
Synonyms: (S)-ethyl 2-ethoxy-3-(4-hydroxyphenyl)propanoate, (S)-2-Ethoxy-3-(4-hydroxy-phenyl)-propionic acid ethyl ester, (S)-2-Ethoxy-3-(4-hydroxy-phenyl)-propionicacidethylester, (s)-2-ethoxy-3-(4-hydroxyphenyl)propionic acid ethyl ester, SureCN977513, CTK4E9019, MolPort-002-499-864, ZINC12649445, AKOS016014937, AG-E-62666, AK-43005, KB-211716, A13355, (s)-2-ethoxy-3-(4-hydroxy-phenyl)-propionic acidethyl ester, Benzenepropanoic acid, a-ethoxy-4-hydroxy-, ethyl ester,(aS)-, (2S)-2-Ethoxy-3-(4-hydroxyphenyl)propionicacid ethyl ester;(S)-(-)-Ethyl 2-ethoxy-3-(4-hydroxyphenyl)propanoate;(S)-(-)-Ethyl 2-ethoxy-3-(4-hydroxyphenyl)propionate;(S)-2-Ethoxy-3-(4-hydroxyphenyl)propionic acid ethyl ester;Ethyl(2S)-2-ethoxy-3-(4-hydroxyphenyl)propanoate;Ethyl(2S)-2-ethoxy-3-(4-hydroxyphenyl)propionate;Ethyl (S)-3-(4-hydroxyphenyl)-2-ethoxypropionate;Ethyl 2-(S)-ethoxy-3-(4-hydroxyphenyl)propanoate;ethyl(S)-2-ethoxy-3-(4-hydroxyphenyl)propionate;

Molecular Formula: C13H18O4Molecular Weight: 238.279620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: NEJJCKFYYBEQRQ-LBPRGKRZSA-N

• 1-Amino-2-cyano-1-cyclopentene
IUPAC Name: 2-aminocyclopentene-1-carbonitrile | CAS Registry Number: 2941-23-3
Synonyms: ZERO/006289, NSC146852, LS-191416, A4141/0176476

Molecular Formula: C6H8N2Molecular Weight: 108.141120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: NSMYBPIHVACKQG-UHFFFAOYSA-N

• 4,8-Dihydroxyquinoline-2-Carboxylic Acid
IUPAC Name: 8-hydroxy-4-oxo-1H-quinoline-2-carboxylic acid | CAS Registry Number: 59-00-7
Synonyms: xanthurenic acid, Xanthuric acid, Xanthurenate, 8-Hydroxykynurenic acid, 4,8-Dihydroxyquinaldic acid, 4,8-Dihydroxyquinaldinic acid, Spectrum_000253, Spectrum2_000158, Spectrum3_000143, Spectrum4_000117, Spectrum5_001562, CCRIS 4429, Oprea1_107134, BSPBio_001846, KBioGR_000474, KBioSS_000733, D120804_ALDRICH, DivK1c_000262, SPECTRUM1500754, SPBio_000296

Molecular Formula: C10H7NO4Molecular Weight: 205.166880 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: FBZONXHGGPHHIY-UHFFFAOYSA-N

• 2,4-Dimethoxy Cinnamic Acid
IUPAC Name: (E)-3-(2,4-dimethoxyphenyl)prop-2-enoic acid | CAS Registry Number: 6972-61-8
Synonyms: 2,4-Dimethoxycinnamic acid, 2',4'-Dimethoxycinnamic acid, D133604_ALDRICH, EINECS 230-208-9, trans-2,4-Dimethoxycinnamic acid, NSC62137, (E)-2',4'-Dimethoxycinnamic acid, EINECS 240-955-2, SBB015968, 2-Propenoic acid, 3-(2,4-dimethoxyphenyl)-, 3-(2,4-Dimethoxyphenyl)-2-propenoic acid, LS-123627, 16909-09-4, InChI=1/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)10(7-9)15-2/h3-7H,1-2H3,(H,12,13)/b6-4

Molecular Formula: C11H12O4Molecular Weight: 208.210580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: YIKHDPHTFYWYJV-GQCTYLIASA-N

• (R)-Fexofenadine
IUPAC Name: 2-[4-[(1R)-1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid | CAS Registry Number: 139965-10-9
Synonyms: R-Carboxyterfenadine, R-Terfenadinecarboxylate, SureCN1972366, MLS001165756, CHEMBL73285, HMS2233N24, AM84489, SMR000550479, FT-0668526, 4-[(1R)-1-Hydroxy-4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]butyl]-|A,|A-dimethyl-benzeneacetic Acid

Molecular Formula: C32H39NO4Molecular Weight: 501.656360 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: RWTNPBWLLIMQHL-GDLZYMKVSA-N

• 4,4,4-Trifluorobut-2-en-1-ol
IUPAC Name: (E)-4,4,4-trifluorobut-2-en-1-ol | CAS Registry Number: 674-53-3
Synonyms: 4,4,4-trifluoro-2-buten-1-ol, 4,4,4-trifluorobut-2-en-1-ol, AG-G-55025, ZINC02555216, AC1NWNHW, KAxQ`\D`dadadTaRjf`Pp, PC7291L, MolPort-000-158-869, SBB085626, 4,4,4-Trifluorocrotyl alcohol 97%, AKOS005258096, (E)-4,4,4-trifluoro-2-buten-1-ol, (E)-4,4,4-trifluorobut-2-en-1-ol, (2E)-4,4,4-trifluorobut-2-en-1-ol, (E)-4,4,4-tris(fluoranyl)but-2-en-1-ol, FT-0616969, FT-0651032, A835753, I14-29417

Molecular Formula: C4H5F3OMolecular Weight: 126.077110 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: UUTWQLLIVDODPQ-OWOJBTEDSA-N

• 1H-Indole-5-carboxamide
IUPAC Name: 1H-indole-5-carboxamide | CAS Registry Number: 1670-87-7
Synonyms: Indole-5-carboxamide, 5-Carbamoylindole, 5-Carboxamidoindole, SD-169, 5-(Aminocarbonyl)-1H-indole, 5-Carbamoylindole;, SureCN170646, AGN-PC-0035TK, S0572_SIGMA, 682497_ALDRICH, CTK0H1666, HMS3229J11, HMS3244I21, HMS3244I22, HMS3244J21, HMS3262M03, HMS3267H21, ABP000279, RS0058, SD 169

Molecular Formula: C9H8N2OMolecular Weight: 160.172620 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: GQMYQEAXTITUAE-UHFFFAOYSA-N

• 1H-Indol-5-amine, 1-methyl-
IUPAC Name: 1-methylindol-5-amine | CAS Registry Number: 102308-97-4
Synonyms: 5-Amino-1-N-methylindole, 1-methyl-1H-indol-5-amine, 1-Methyl-1H-indol-5-ylamine, 1-methylindol-5-amine, 1h-indol-5-amine, 1-methyl-, AG-D-11094, 1-methylindole-5-ylamine, ST50321730, PubChem9381, 5-amino-n-methylindole, BAS 13601545, 5-amino-1-methylindole, AC1MCH6P, SureCN721707, AGN-PC-01ZCO4, 5-amino-1-methyl-1h-indole, KSC500S1T, ACMC-20981i, 1-methyl-1h-indole-5-ylamine, 1H-Indol-5-amine,1-methyl-

Molecular Formula: C9H10N2Molecular Weight: 146.189100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: PGTSGPCXPIFQEL-UHFFFAOYSA-N

• 5-Nitropseudocumene
IUPAC Name: 1,2,4-trimethyl-5-nitrobenzene | CAS Registry Number: 610-91-3
Synonyms: 1,2,4-Trimethyl-5-nitrobenzene, 137898_ALDRICH, NSC10997, MolPort-001-783-157, CID69130, EINECS 210-238-9, ZINC01712638, Benzene, 1,2,4-trimethyl-5-nitro-, LT03330989, InChI=1/C9H11NO2/c1-6-4-8(3)9(10(11)12)5-7(6)2/h4-5H,1-3H

Molecular Formula: C9H11NO2Molecular Weight: 165.189140 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: WILMQVBUVCETSB-UHFFFAOYSA-N

• 3,4-Dihydroharmin
IUPAC Name: 7-methoxy-1-methyl-3,4-dihydro-2H-pyrido[3,4-b]indole | CAS Registry Number: 304-21-2
Synonyms: harmaline, Dihydroharmine, Harmidine, Armalin, O-Methylharmalol, Harmine, dihydro-, 3,4-Dihydroharmine, Harmalol methyl ether, Spectrum_000301, Prestwick0_000610, Prestwick1_000610, Prestwick2_000610, Prestwick3_000610, Spectrum2_000411, Spectrum3_000720, Spectrum4_000824, Spectrum5_001452, Oprea1_112644, BSPBio_000520, BSPBio_002539

Molecular Formula: C13H14N2OMolecular Weight: 214.263060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: QJOZJXNKVMFAET-UHFFFAOYSA-N

• 5-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine
IUPAC Name: 5-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine | CAS Registry Number: 28004-62-8
Synonyms: 2-Amino-5-(4-chlorophenyl)-1,3,4-thiadiazole, CHEMBL1383520, 5-(4-Chloro-phenyl)-[1,3,4]thiadiazol-2-ylamine, 5-(4-chlorophenyl)-[1,3,4]thiadiazol-2-ylamine, 5-(4-chlorophenyl)-1,3,4-thiadiazole-2-ylamine, ZINC00028531, AC1LDK1D, SureCN1143676, Oprea1_452072, Oprea1_863270, MLS000525910, 573744_ALDRICH, STOCK2S-48011, MolPort-000-147-346, HMS2503M07, BBL002951, GEO-00104, SBB000521, STK101084, AKOS000225420

Molecular Formula: C8H6ClN3SMolecular Weight: 211.671340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: OAVULPOOAHQYDZ-UHFFFAOYSA-N

• 3-Methyl Xanthine
IUPAC Name: 3-methyl-7H-purine-2,6-dione | CAS Registry Number: 1076-22-8
Synonyms: 3-Methylxanthine, Purine analog, Xanthine, 3-methyl-, Ambap7379, Spectrum_001898, SpecPlus_000737, Spectrum2_000502, Spectrum3_001652, Spectrum4_001571, Spectrum5_001544, 3 MX, 3-METHYL XANTHINE, CCRIS 5817, Oprea1_233226, Oprea1_288071, BSPBio_003403, KBioGR_002122, KBioSS_002428, DivK1c_006833, SPECTRUM1504182

Molecular Formula: C6H6N4O2Molecular Weight: 166.137440 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: GMSNIKWWOQHZGF-UHFFFAOYSA-N

• 2,4-Dimethoxy-6-chloropyrimidine
IUPAC Name: 4-chloro-2,6-dimethoxypyrimidine | CAS Registry Number: 6320-15-6
Synonyms: C36408_ALDRICH, 6-Chloro-2,4-dimethoxypyrimidine, NSC31796, 4-Chloro-2,6-dimethoxypyrimidine, CID80600, EINECS 228-669-6, ZINC00399489, Pyrimidine, 4-chloro-2,6-dimethoxy-, ST5410866

Molecular Formula: C6H7ClN2O2Molecular Weight: 174.584980 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: JHNRTJRDRWKAIW-UHFFFAOYSA-N

• 4-Chloro-6-nitro-m-cresol
IUPAC Name: 4-chloro-5-methyl-2-nitrophenol | CAS Registry Number: 7147-89-9
Synonyms: m-Cresol, 4-chloro-6-nitro-, 4-Chloro-6-nitro-meta-cresol, 146269_ALDRICH, Phenol, 4-chloro-5-methyl-2-nitro-, 4-Chloro-3-methyl-6-nitrophenol, NSC28451, EINECS 230-461-5, NSC 28451, 4-CHLORO-5-METHYL-2-NITROPHENOL, InChI=1/C7H6ClNO3/c1-4-2-7(10)6(9(11)12)3-5(4)8/h2-3,10H,1H

Molecular Formula: C7H6ClNO3Molecular Weight: 187.580440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: JBMGJOKJUYGIJH-UHFFFAOYSA-N

• 2-Bromoheptafluoropropane
IUPAC Name: 2-bromo-1,1,1,2,3,3,3-heptafluoropropane | CAS Registry Number: 422-77-5
Synonyms: 2-bromo-1,1,1,2,3,3,3-heptafluoropropane, Perfluoro(2-bromopropane), AC1MC5D9, CHEMBL476635, PERFLUORO-2-BROMOPROPANE, CTK1D5494, FD2011, PC0917, SBB100503, ZINC44430458, AKOS005063353, AG-F-50334, EF10036, RP28834, KB-85468, FT-0611563, A825834, 3S104285, 3S210837, I14-13158

Molecular Formula: C3BrF7Molecular Weight: 248.924922 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: SULCAUVYSILBCB-UHFFFAOYSA-N

• 4-Pyrimidin-5-Yl-Benzoic Acid
IUPAC Name: 4-pyrimidin-5-ylbenzoate | CAS Registry Number: 216959-91-0
Synonyms: ZINC02563825, CID7020371

Molecular Formula: C11H7N2O2-Molecular Weight: 199.185480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: CCBKADQVSXLSDN-UHFFFAOYSA-M

• 3-Bromo-1-adamantaneacetic acid
IUPAC Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetate | CAS Registry Number: 17768-34-2
Synonyms: ZINC00085548, ZINC12368287, 2-[(5S,7R)-3-bromo-1-adamantyl]acetate, 2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoate, A812287

Molecular Formula: C12H16BrO2-Molecular Weight: 272.158240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: HFGLWCBEPPFDDJ-LRSDLPTKSA-M

• 4'-Nitrobenzanilide
IUPAC Name: N-(4-nitrophenyl)benzamide | CAS Registry Number: 3393-96-2
Synonyms: 4-Nitrobenzanilide, p'-Nitrobenzanilide, N-Benzoyl-p-nitroaniline, Benzanilide, 4'-nitro, Benzanilide, 4'-nitro-, N-(p-Nitrophenyl)benzamide, N-(4-Nitro-phenyl)-benzamide, Oprea1_523402, Benzamide, N-(4-nitrophenyl)-, Aniline, N-benzoyl-p-nitro-, MLS001205091, ARONIS014425, Benzamide, N-(p-nitrophenyl)-, AIDS066698, AIDS-066698, NSC82120, EINECS 222-241-2, ZINC03851668, BAS 00028480, SMR000504786

Molecular Formula: C13H10N2O3Molecular Weight: 242.230100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GMGQGZYFQSCZCW-UHFFFAOYSA-N

• 2-Chloropropiophenone
IUPAC Name: (2R)-2-chloro-1-phenylpropan-1-one | CAS Registry Number: 6084-17-9
Synonyms: 2-chloro-1-phenylpropan-1-one, NSC5663, 1-propanone, 2-chloro-1-phenyl-, CID641140, InChI=1/C9H9ClO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7H,1H

Molecular Formula: C9H9ClOMolecular Weight: 168.620160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: AXCPQHPNAZONTH-SSDOTTSWSA-N

• 5-Nitro-2-ThiopheneCarboxaldehyde
IUPAC Name: 5-nitrothiophene-2-carbaldehyde | CAS Registry Number: 4521-33-9
Synonyms: 5-Nitro-thiophene-2-carbaldehyde, 302295_ALDRICH, 5-Nitrothiophene-2-carbaldehyde, 5-Nitro-2-thiophenecarboxaldehyde, Thiophenecarboxaldehyde, 5-nitro-, EINECS 224-850-9, NSC168226, STK023185, TF4026, ZINC00154896, TL8003136, 21512-16-3

Molecular Formula: C5H3NO3SMolecular Weight: 157.147220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: CHTSWZNXEKOLPM-UHFFFAOYSA-N

• 3-Bromophenethyl Alcohol
IUPAC Name: 2-(3-bromophenyl)ethanol | CAS Registry Number: 28229-69-8
Synonyms: 3-Bromophenethyl alcohol, 394521_ALDRICH, ZINC00395543, OR3522, CID2734090

Molecular Formula: C8H9BrOMolecular Weight: 201.060460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: PTTFLKHCSZSFOL-UHFFFAOYSA-N

• 2-Aminophenyl trifluoromethyl sulphide
IUPAC Name: 2-(trifluoromethylsulfanyl)aniline | CAS Registry Number: 347-55-7
Synonyms: 2-Aminobenzothiotrifluoride, 2-((Trifluoromethyl)thio)aniline, ZINC00344635, CID67670, EINECS 206-473-1, Benzenamine, 2-((trifluoromethyl)thio)-, 3S103349, 3S210913

Molecular Formula: C7H6F3NSMolecular Weight: 193.189450 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: HIPLFBJHUALLRK-UHFFFAOYSA-N

• 3-Bromo-5-chlorophenylamine
IUPAC Name: 3-bromo-5-chloroaniline | CAS Registry Number: 96558-78-0
Synonyms: 3-bromo-5-chloroaniline, AG-H-95609, BENZENAMINE, 3-BROMO-5-CHLORO, EINECS 254-118-4, PubChem19913, 3-Bromo-5-chloroaniline,, ACMC-209s7a, SureCN739226, 3-bromo-5-chlorobenzenamine, JSPY-st000219, 3-bromanyl-5-chloranyl-aniline, AC1MJ337, CTK5H8786, MolPort-001-769-928, ANW-40820, OR7300, SBB093732, ZINC04253970, AKOS005258641, AB29734

Molecular Formula: C6H5BrClNMolecular Weight: 206.467600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: YYBRLVWWPRAQDX-UHFFFAOYSA-N

• 5-Methoxybenzimidazole
IUPAC Name: 6-methoxy-1H-benzimidazole | CAS Registry Number: 4887-80-3
Synonyms: 5-METHOXYBENZIMIDAZOLE, 1H-Benzimidazole, 5-methoxy-, 5-Methoxy-1H-benzimidazole, 515108_ALDRICH, 1H-Benzo[d]imidazole, 5-methoxy, AIDS211503, AIDS-211503, EINECS 225-502-9, ZINC00403350, 5OB, InChI=1/C8H8N2O/c1-11-6-2-3-7-8(4-6)10-5-9-7/h2-5H,1H3,(H,9,10

Molecular Formula: C8H8N2OMolecular Weight: 148.161920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ILMHAGCURJPNRZ-UHFFFAOYSA-N

• 2-Despiperidyl-2-(5-carboxypentylamine) Repaglinide
IUPAC Name: 4-[2-[[1-[2-(4-carboxybutylamino)phenyl]-3-methylbutyl]amino]-2-oxoethyl]-2-ethoxybenzoic acid | CAS Registry Number: 874908-12-0
Synonyms: 4-[2-[[1-[2-[(4-CARBOXYBUTYL)AMINO]PHENYL]-3-METHYLBUTYL]AMINO]-2-OXOETHYL]-2-ETHOXYBENZOIC ACID, Repaglinide M2 metabolite, CTK5F8545, AG-H-53123, FT-0666264, Benzoic acid,4-[2-[[1-[2-[(4-carboxybutyl)amino]phenyl]-3-methylbutyl]amino]-2-oxoethyl]-2-ethoxy-

Molecular Formula: C27H36N2O6Molecular Weight: 484.584540 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 7

InChIKey: ZOMBGPVQRXZSGW-UHFFFAOYSA-N

• (+)-alpha-Pinene
IUPAC Name: (1R,5R)-4,7,7-trimethylbicyclo[3.1.1]hept-3-ene | CAS Registry Number: 7785-70-8
Synonyms: ()-alpha-Pinene, 1R-(+)-a-pinene, alpha-Pinene(dextro), ALPHA-PINENE, (1R)-()-alpha-Pinene, (1R,5R)-2-Pinene, (1R,5R)-pin-2-ene, P45680_ALDRICH, (+)-Pin-2(3)-ene, W290238_ALDRICH, 147524_ALDRICH, 268070_ALDRICH, 80605_FLUKA, CHEBI:28261, CPD-8754, EINECS 232-087-8, LMPR01020043, (1R,5R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene, C06306, (+)-3,6,6-TRIMETHYLBICYCLO[3.1.1]HEPT-2-ENE

Molecular Formula: C10H16Molecular Weight: 136.234040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: GRWFGVWFFZKLTI-RKDXNWHRSA-N

• (S)-1-(4-chlorophenyl)ethanol
IUPAC Name: (1S)-1-(4-chlorophenyl)ethanol | CAS Registry Number: 99528-42-4
Synonyms: (S)-1-(4-Chlorophenyl)ethanol, PubChem14251, AC1OCT1K, SureCN3072654, CTK8B9918, MolPort-011-138-731, (1S)-1-(4-chlorophenyl)ethanol, ANW-63569, SC1278, ZINC00388284, (S)-4-Chloro-|A-methylbenzyl alcohol, AG-I-01915, AK-79216, KB-63406, A11332, I01-4549, (S)-4 inverted exclamation marka-Chloro-1-phenylethanol

Molecular Formula: C8H9ClOMolecular Weight: 156.609460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: MVOSNPUNXINWAD-LURJTMIESA-N

• 1,2-Diphenoxyethane
IUPAC Name: 2-(phenoxy)ethoxybenzene | CAS Registry Number: 104-66-5
Synonyms: Ethane, 1,2-diphenoxy-, 1,2-DIPHENOXYETHANE, Ethylene glycol diphenyl ether, TimTec1_004217, 140287_ALDRICH, NSC 6794, EINECS 203-224-9, NSC6794, AIDS017871, Ethane, 1,2-diphenoxy- (8CI), AIDS-017871, Benzene, 1,1'-[1,2-ethanediylbis(oxy)]bis-, ZINC01866993, AI3-00789, NCGC00164062-01, Benzene, 1,1'-(1,2-ethanediylbis(oxy))bis-, 1,1'-[ethane-1,2-diylbis(oxy)]dibenzene, LS-195229, ST5308520

Molecular Formula: C14H14O2Molecular Weight: 214.259760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: XCSGHNKDXGYELG-UHFFFAOYSA-N

• 4-Amino-1,8-naphthalic anhydride
Synonyms: 235598_ALDRICH, Naphthalic anhydride, 4-amino-, NSC7564, EINECS 229-372-4, SBB000529, 4-Aminonaphthalene-1,8-dicarboxylic anhydride, 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 6-amino-

Molecular Formula: C12H7NO3Molecular Weight: 213.188880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: QIXHMCMCFSNKOG-UHFFFAOYSA-N

• 1-(2,4-Dihydroxyphenyl)-2-phenylethan-1-one
IUPAC Name: 1-(2,4-dihydroxyphenyl)-2-phenylethanone | CAS Registry Number: 3669-41-8
Synonyms: CBMicro_026224, Benzyl 2,4-dihydroxyphenyl ketone, NCIOpen2_007155, Oprea1_277210, Oprea1_343873, 2,4-Dihydroxyphenylbenzyl ketone, 438499_ALDRICH, NSC105542, AIDS126320, AIDS-126320, 1-(2,4-Dihydroxyphenyl)-2-phenylethanone, SBB008378, ZINC00117559, 2',4'-Dihydroxy-2-phenylacetophenone, FR-1322, NSC 105542, BIM-0026207.P001

Molecular Formula: C14H12O3Molecular Weight: 228.243280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: VFQKAJVKZKHVPD-UHFFFAOYSA-N

• 3,4-Pyridinedicarboximide
IUPAC Name: pyrrolo[3,4-c]pyridine-1,3-dione | CAS Registry Number: 4664-01-1
Synonyms: Cinchomeronimide, Quinolinimide, 4-Azaphthalimid, Cinchomeronic acid imide, 4-Azaphthalimid [German], 2,3-Pyridinedicarboximide, 328588_ALDRICH, AIDS020416, NSC 524479, AIDS-020416, CID72926, BRN 0124195, NSC524479, ZINC00389518, OR29467, 1H-Pyrrolo[3,4-c]pyridine-1,3(2H)-dione, LS-131169, TL8003212, 1H-Pyrrolo(3,4-c)pyridine-1,3(2H)-dione, 5H-Pyrrolo[3,4-b]pyridine-5,7(6H)-dione

Molecular Formula: C7H4N2O2Molecular Weight: 148.118860 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: SJSABZBUTDSWMJ-UHFFFAOYSA-N

• 4-Fluoroisatoicanhydride
IUPAC Name: 7-fluoro-1H-3,1-benzoxazine-2,4-dione | CAS Registry Number: 321-50-6
Synonyms: 4-Fluoroisatoic anhydride, 7-fluoro-1h-benzo[d][1,3]oxazine-2,4-dione, 7-Fluoro-2H-3,1-benzoxazine-2,4(1H)-dione, 7-fluoro-1-H-benzo[d][1,3]oxazine-2,4-dione, fluorobenzoxazinedione, AC1Q4MZZ, 7-Fluoroisatoic anhydride, CTK4G8295, MolPort-002-499-558, ANW-74165, ZINC02512917, AKOS000278654, AG-A-91841, AG-F-07346, FE-0012, MCULE-8440201621, RP10895, AC-19355, AK-80276, KB-38844

Molecular Formula: C8H4FNO3Molecular Weight: 181.120663 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: JEVWCMDHSLNNDR-UHFFFAOYSA-N

• 2-(4-Pyridyl)-2-Propanol
IUPAC Name: 2-pyridin-4-ylpropan-2-ol | CAS Registry Number: 15031-78-4
Synonyms: 2-(4-Pyridyl)-2-propanol, 2-(Pyridin-4-yl)propan-2-ol, 2-pyridin-4-ylpropan-2-ol, AC1NDRMD, PubChem16172, ACMC-209d4c, SureCN2554687, 2-pyridin-4-yl-2-propanol, 1-Methyl-1-(4-pyridyl)ethanol, 2-(4-Pyridyl)isopropyl Alcohol, MolPort-002-496-269, ANW-21274, ZINC00397394, AKOS006346466, AC-7430, AG-A-20440, AG-D-96920, AK-82587, AB1000739, KB-163136

Molecular Formula: C8H11NOMolecular Weight: 137.179040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WEQVCDIJDUVSID-UHFFFAOYSA-N

• 2-Mercaptobenzolyl-alpha-(2-aminothiazol-4-yl)-alpha-[(tert-butoxycarbonyl)isopropoxyimino]acetate
IUPAC Name: tert-butyl 2-[[1-(2-amino-1,3-thiazol-4-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-oxoethylidene]amino]oxy-2-methylpropanoate | CAS Registry Number: 89604-92-2
Synonyms: (Z)-tert-Butyl 2-(((1-(2-aminothiazol-4-yl)-2-(benzo[d]thiazol-2-ylthio)-2-oxoethylidene)amino)oxy)-2-methylpropanoate, AGN-PC-00N51Y, CTK8B4540, TERT-BUTYL 2-{[(Z)-[1-(2-AMINO-1,3-THIAZOL-4-YL)-2-(1,3-BENZOTHIAZOL-2-YLSULFANYL)-2-OXOETHYLIDENE]AMINO]OXY}-2-METHYLPROPANOATE, ANW-45421, 2-Mercaptobenzothiazolyl-(Z)-(2-aminothiazol-4-, A843248, (E)-tert-butyl 2-(1-(2-aminothiazol-4-yl)-2-(benzo[d]thiazol-2-ylthio)-2-oxoethylideneaminooxy)-2-methylpropanoate, 2-[[1-(2-amino-4-thiazolyl)-2-(1,3-benzothiazol-2-ylthio)-2-oxoethylidene]amino]oxy-2-methylpropanoic acid tert-butyl ester, tert-butyl 2-[(E)-[1-(2-amino-1,3-thiazol-4-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-oxoethylidene]amino]oxy-2-methylpropanoate, tert-butyl 2-[[1-(2-azanyl-1,3-thiazol-4-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-oxidanylidene-ethylidene]amino]oxy-2-methyl-propanoate

Molecular Formula: C20H22N4O4S3Molecular Weight: 478.608080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 11

InChIKey: RCZJVHXVCSKDKB-UHFFFAOYSA-N


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